SCHEMBL4894477

SCHEMBL4894477

CCC1CCCCN1c1cc(F)c(C#N)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
NPY5R Q15761 1/20 0.33
DPP4 P27487 1/20 0.33
MAPT P10636 5/20 0.33
HPGD P15428 4/20 0.33
USP14 P54578 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HSD17B10 Q99714 2/20 0.32
RECQL P46063 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4905610 1.00 AR (0.42) ARALDH1A1KDM4ENPSR1MEN1
SCHEMBL4904784 0.75 AR (0.54) ARALDH1A1KDM4ENPSR1NPY5R
SCHEMBL4901169 0.75 AR (0.54) ARALDH1A1KDM4ENPSR1NPY5R
SCHEMBL4893604 0.72 AR (0.51) AR
SCHEMBL4894097 0.72 AR (0.51) AR
SCHEMBL4902580 0.72 AR (0.57) AR
SCHEMBL4902576 0.72 AR (0.57) AR
SCHEMBL1318731 0.71 AR (0.35) ARKDM4ENPSR1MAPTHPGD
SCHEMBL2392786 0.70 AR (0.40) ARTRPV4DPP4USP14
SCHEMBL1562517 0.70 AR (0.42) ARALDH1A1KDM4ENPSR1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045504-A1 Benzonitrile Derivatives to Treat Musculoskeletal Frailty PFIZER PRODUCTS INC. (US) 2008-02-21 US claimed
EP-1747193-A1 BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY Pfizer Products Incorporated (US) 2007-01-31 EP claimed
WO-2006024931-A2 THERAPEUTIC COMBINATIONS COMPRISING A SELECTIVE ESTROGEN RECEPTOR MODULATOR AND A SELECTIVE ANDROGEN RECEPTOR MODULATOR PFIZER PRODUCTS INC. (US) 2006-03-09 WO claimed
WO-2005108351-A1 BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY PFIZER PRODUCTS INC. (US) 2005-11-17 WO claimed
US-20080045504-A1 Benzonitrile Derivatives to Treat Musculoskeletal Frailty PFIZER PRODUCTS INC. (US) 2008-02-21 US disclosed
EP-1747193-A1 BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY Pfizer Products Incorporated (US) 2007-01-31 EP disclosed
WO-2006024931-A2 THERAPEUTIC COMBINATIONS COMPRISING A SELECTIVE ESTROGEN RECEPTOR MODULATOR AND A SELECTIVE ANDROGEN RECEPTOR MODULATOR PFIZER PRODUCTS INC. (US) 2006-03-09 WO disclosed
WO-2005108351-A1 BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY PFIZER PRODUCTS INC. (US) 2005-11-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045504-A1 Benzonitrile Derivatives to Treat Musculoskeletal Frailty TNNC1, TNNI3, TNNT2 AR 500/4885ALDH1A1 1931/4885KDM4E 242/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.